REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1lrv_1_A DATA FIRST_RESID 9 DATA SEQUENCE TPIGDCRVCS FRMSLLLTGR CTPGDACVAV ESGRQIDRFF RNNPHLAVQY DATA SEQUENCE LADPFWERRA IAVRYSPVEA LTPLIRDSDE VVRRAVAYRL PREQLSALMF DATA SEQUENCE DEDREVRITV ADRLPLEQLE QMAADRDYLV RAYVVQRIPP GRLFRFMRDE DATA SEQUENCE DRQVRKLVAK RLPEESLGLM TQDPEPEVRR IVASRLRGDD LLELLHDPDW DATA SEQUENCE TVRLAAVEHA SLEALRELDE PDPEVRLAIA GRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.689 174.700 -0.018 0.000 1.109 9 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 9 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 10 P HA 0.738 nan 4.420 nan 0.000 0.286 10 P C -1.085 176.193 177.300 -0.038 0.000 1.261 10 P CA -0.710 62.369 63.100 -0.035 0.000 0.821 10 P CB 0.458 32.130 31.700 -0.048 0.000 1.013 11 I N -1.397 119.152 120.570 -0.036 0.000 2.603 11 I HA 0.820 4.989 4.170 -0.000 0.000 0.300 11 I C -0.077 176.014 176.117 -0.042 0.000 1.017 11 I CA -0.590 60.688 61.300 -0.036 0.000 1.098 11 I CB 2.159 40.143 38.000 -0.026 0.000 1.279 11 I HN 0.390 nan 8.210 nan 0.000 0.437 12 G N 2.837 111.609 108.800 -0.047 0.000 2.389 12 G HA2 0.210 4.170 3.960 -0.000 0.000 0.328 12 G HA3 0.210 4.170 3.960 -0.000 0.000 0.328 12 G C -0.659 174.219 174.900 -0.036 0.000 1.133 12 G CA -0.544 44.526 45.100 -0.050 0.000 0.891 12 G HN 0.826 nan 8.290 nan 0.000 0.485 13 D N 1.559 121.938 120.400 -0.035 0.000 2.483 13 D HA -0.049 4.591 4.640 -0.000 0.000 0.261 13 D C 1.376 177.664 176.300 -0.019 0.000 1.318 13 D CA -0.089 53.895 54.000 -0.026 0.000 1.201 13 D CB 0.074 40.857 40.800 -0.028 0.000 1.127 13 D HN 0.235 nan 8.370 nan 0.000 0.519 14 C N 2.513 121.807 119.300 -0.011 0.000 2.419 14 C HA -0.125 4.335 4.460 -0.000 0.000 0.283 14 C C 2.507 177.495 174.990 -0.002 0.000 1.373 14 C CA -0.061 58.958 59.018 0.003 0.000 1.781 14 C CB -0.842 26.905 27.740 0.012 0.000 1.886 14 C HN 0.615 nan 8.230 nan 0.000 0.520 15 R N 1.666 122.161 120.500 -0.009 0.000 2.117 15 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 15 R C 1.656 177.944 176.300 -0.019 0.000 1.143 15 R CA 2.403 58.496 56.100 -0.012 0.000 0.968 15 R CB -0.413 29.879 30.300 -0.013 0.000 0.863 15 R HN 0.477 nan 8.270 nan 0.000 0.444 16 V N -1.577 118.322 119.914 -0.025 0.000 3.263 16 V HA 0.132 4.252 4.120 -0.000 0.000 0.248 16 V C 1.399 177.461 176.094 -0.053 0.000 1.145 16 V CA 0.069 62.347 62.300 -0.035 0.000 1.107 16 V CB -0.988 30.815 31.823 -0.034 0.000 0.797 16 V HN 0.418 nan 8.190 nan 0.000 0.467 17 C N 3.283 122.556 119.300 -0.045 0.000 2.563 17 C HA 0.118 4.578 4.460 -0.000 0.000 0.411 17 C C 2.455 177.365 174.990 -0.134 0.000 1.386 17 C CA 0.627 59.605 59.018 -0.067 0.000 1.703 17 C CB 0.237 27.982 27.740 0.009 0.000 2.596 17 C HN 0.703 nan 8.230 nan 0.000 0.605 18 S N 3.352 118.859 115.700 -0.323 0.000 2.555 18 S HA -0.039 4.431 4.470 -0.000 0.000 0.230 18 S C 0.741 175.115 174.600 -0.376 0.000 0.978 18 S CA 0.763 58.725 58.200 -0.396 0.000 0.934 18 S CB -0.443 62.443 63.200 -0.523 0.000 0.766 18 S HN 0.822 nan 8.310 nan 0.000 0.533 19 F N 2.594 122.565 119.950 0.035 0.000 2.797 19 F HA 0.321 4.847 4.527 -0.001 0.000 0.302 19 F C 2.256 178.079 175.800 0.037 0.000 1.130 19 F CA -0.772 57.262 58.000 0.056 0.000 1.387 19 F CB -0.380 38.678 39.000 0.096 0.000 1.107 19 F HN 0.276 nan 8.300 nan 0.000 0.577 20 R N -0.190 120.382 120.500 0.120 0.000 2.090 20 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 20 R C 1.480 177.817 176.300 0.062 0.000 1.110 20 R CA 1.188 57.333 56.100 0.076 0.000 0.973 20 R CB -0.454 29.865 30.300 0.032 0.000 0.869 20 R HN 0.162 nan 8.270 nan 0.000 0.440 21 M N 1.297 120.927 119.600 0.050 0.000 2.595 21 M HA 0.060 4.540 4.480 -0.000 0.000 0.248 21 M C 1.193 177.529 176.300 0.060 0.000 1.119 21 M CA 0.939 56.263 55.300 0.039 0.000 1.079 21 M CB 0.308 32.919 32.600 0.017 0.000 1.472 21 M HN 0.445 nan 8.290 nan 0.000 0.501 22 S N -1.484 114.278 115.700 0.103 0.000 3.792 22 S HA 0.133 4.603 4.470 -0.000 0.000 0.229 22 S C 1.445 176.113 174.600 0.112 0.000 1.118 22 S CA -0.302 57.965 58.200 0.112 0.000 0.877 22 S CB 0.129 63.419 63.200 0.149 0.000 1.077 22 S HN 0.198 nan 8.310 nan 0.000 0.546 23 L N 2.139 123.466 121.223 0.172 0.000 2.109 23 L HA 0.299 4.639 4.340 -0.000 0.000 0.207 23 L C 2.381 179.290 176.870 0.066 0.000 1.086 23 L CA 1.211 56.110 54.840 0.098 0.000 0.760 23 L CB -1.074 41.034 42.059 0.082 0.000 0.910 23 L HN 0.359 nan 8.230 nan 0.000 0.437 24 L N -0.818 120.463 121.223 0.096 0.000 1.970 24 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 24 L C 2.104 178.995 176.870 0.035 0.000 1.071 24 L CA 1.455 56.332 54.840 0.061 0.000 0.751 24 L CB -0.313 41.787 42.059 0.067 0.000 0.889 24 L HN 0.236 nan 8.230 nan 0.000 0.432 25 L N -0.702 120.544 121.223 0.038 0.000 2.642 25 L HA -0.113 4.227 4.340 -0.000 0.000 0.236 25 L C 1.052 177.931 176.870 0.015 0.000 1.169 25 L CA 0.637 55.492 54.840 0.024 0.000 0.851 25 L CB -0.782 41.292 42.059 0.026 0.000 0.968 25 L HN 0.365 nan 8.230 nan 0.000 0.453 26 T N -2.835 111.726 114.554 0.012 0.000 3.087 26 T HA 0.278 4.628 4.350 -0.000 0.000 0.283 26 T C 1.308 176.000 174.700 -0.013 0.000 0.956 26 T CA 0.301 62.401 62.100 -0.000 0.000 0.894 26 T CB 1.185 70.052 68.868 -0.001 0.000 1.160 26 T HN 0.344 nan 8.240 nan 0.000 0.532 27 G N 2.612 111.405 108.800 -0.012 0.000 2.184 27 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.264 27 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.264 27 G C 1.064 175.934 174.900 -0.051 0.000 0.975 27 G CA 0.472 45.556 45.100 -0.025 0.000 0.642 27 G HN 0.491 nan 8.290 nan 0.000 0.536 28 R N -0.250 120.212 120.500 -0.063 0.000 2.235 28 R HA 0.189 4.529 4.340 -0.000 0.000 0.213 28 R C 1.500 177.700 176.300 -0.165 0.000 1.059 28 R CA 1.357 57.379 56.100 -0.129 0.000 0.997 28 R CB -0.227 29.988 30.300 -0.141 0.000 0.884 28 R HN 0.922 nan 8.270 nan 0.000 0.462 29 C N -2.055 117.207 119.300 -0.063 0.000 2.898 29 C HA 0.769 5.229 4.460 -0.000 0.000 0.304 29 C C -0.713 174.285 174.990 0.013 0.000 1.237 29 C CA -0.791 58.230 59.018 0.007 0.000 1.529 29 C CB 2.282 30.111 27.740 0.147 0.000 2.021 29 C HN 0.075 nan 8.230 nan 0.000 0.474 30 T N 2.643 117.205 114.554 0.014 0.000 3.395 30 T HA 0.457 4.807 4.350 -0.000 0.000 0.330 30 T C -3.110 171.589 174.700 -0.003 0.000 1.076 30 T CA -0.333 61.768 62.100 0.002 0.000 1.070 30 T CB 1.543 70.404 68.868 -0.010 0.000 1.119 30 T HN 0.631 nan 8.240 nan 0.000 0.462 31 P HA 0.217 nan 4.420 nan 0.000 0.263 31 P C 1.223 178.513 177.300 -0.017 0.000 1.175 31 P CA 1.263 64.355 63.100 -0.014 0.000 0.761 31 P CB 0.216 31.910 31.700 -0.011 0.000 0.794 32 G N 2.224 111.010 108.800 -0.024 0.000 2.220 32 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.269 32 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.269 32 G C 0.714 175.601 174.900 -0.021 0.000 0.977 32 G CA 0.969 46.055 45.100 -0.023 0.000 0.634 32 G HN 0.609 nan 8.290 nan 0.000 0.539 33 D N -0.552 119.836 120.400 -0.021 0.000 3.234 33 D HA 0.557 5.196 4.640 -0.000 0.000 0.281 33 D C 1.143 177.428 176.300 -0.024 0.000 1.405 33 D CA 1.115 55.102 54.000 -0.021 0.000 1.115 33 D CB 0.078 40.865 40.800 -0.020 0.000 1.198 33 D HN 0.916 nan 8.370 nan 0.000 0.388 34 A N 0.515 123.324 122.820 -0.018 0.000 2.483 34 A HA 0.624 4.944 4.320 -0.000 0.000 0.308 34 A C -1.122 176.498 177.584 0.059 0.000 1.291 34 A CA -0.533 51.502 52.037 -0.004 0.000 0.774 34 A CB 0.503 19.473 19.000 -0.049 0.000 1.134 34 A HN 0.377 nan 8.150 nan 0.000 0.471 35 C N 2.678 121.971 119.300 -0.012 0.000 2.686 35 C HA 0.564 5.023 4.460 -0.000 0.000 0.318 35 C C 1.218 175.942 174.990 -0.443 0.000 1.160 35 C CA -0.086 58.833 59.018 -0.166 0.000 1.396 35 C CB 1.089 28.756 27.740 -0.123 0.000 1.924 35 C HN 0.946 nan 8.230 nan 0.000 0.471 36 V N 3.274 122.605 119.914 -0.972 0.000 2.878 36 V HA 0.187 4.307 4.120 -0.000 0.000 0.250 36 V C 2.157 177.968 176.094 -0.471 0.000 1.075 36 V CA 1.636 63.365 62.300 -0.951 0.000 1.096 36 V CB -1.052 29.953 31.823 -1.363 0.000 0.724 36 V HN 0.995 nan 8.190 nan 0.000 0.467 37 A N 0.366 122.979 122.820 -0.344 0.000 2.255 37 A HA 0.348 4.667 4.320 -0.000 0.000 0.206 37 A C 0.855 178.347 177.584 -0.153 0.000 1.193 37 A CA 0.514 52.445 52.037 -0.176 0.000 0.794 37 A CB -0.587 18.349 19.000 -0.107 0.000 0.794 37 A HN 0.411 nan 8.150 nan 0.000 0.481 38 V N -0.536 119.276 119.914 -0.169 0.000 2.715 38 V HA 0.207 4.326 4.120 -0.000 0.000 0.310 38 V C 0.117 176.116 176.094 -0.158 0.000 1.054 38 V CA -0.851 61.361 62.300 -0.147 0.000 0.928 38 V CB 1.694 33.450 31.823 -0.113 0.000 1.007 38 V HN 0.423 nan 8.190 nan 0.000 0.437 39 E N 1.879 121.946 120.200 -0.222 0.000 2.773 39 E HA 0.139 4.489 4.350 -0.000 0.000 0.302 39 E C 0.118 176.689 176.600 -0.048 0.000 1.574 39 E CA 0.049 56.274 56.400 -0.292 0.000 1.775 39 E CB 0.290 29.635 29.700 -0.593 0.000 1.413 39 E HN 0.570 nan 8.360 nan 0.000 0.471 40 S N -0.731 114.965 115.700 -0.007 0.000 2.659 40 S HA 0.373 4.842 4.470 -0.000 0.000 0.312 40 S C 1.142 175.751 174.600 0.015 0.000 1.114 40 S CA -0.581 57.623 58.200 0.008 0.000 1.063 40 S CB 1.513 64.701 63.200 -0.020 0.000 0.996 40 S HN 0.294 nan 8.310 nan 0.000 0.478 41 G N 4.248 113.056 108.800 0.014 0.000 2.450 41 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.220 41 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.220 41 G C 1.470 176.383 174.900 0.022 0.000 1.130 41 G CA 0.477 45.578 45.100 0.002 0.000 0.760 41 G HN 0.770 nan 8.290 nan 0.000 0.557 42 R N -0.169 120.339 120.500 0.015 0.000 2.061 42 R HA -0.020 4.319 4.340 -0.000 0.000 0.230 42 R C 2.784 179.084 176.300 0.001 0.000 1.140 42 R CA 1.424 57.532 56.100 0.013 0.000 0.940 42 R CB -0.515 29.789 30.300 0.007 0.000 0.839 42 R HN 0.398 nan 8.270 nan 0.000 0.429 43 Q N 0.567 120.358 119.800 -0.015 0.000 2.050 43 Q HA -0.116 4.223 4.340 -0.000 0.000 0.202 43 Q C 2.256 178.226 176.000 -0.050 0.000 0.980 43 Q CA 1.372 57.154 55.803 -0.035 0.000 0.840 43 Q CB -0.131 28.576 28.738 -0.052 0.000 0.898 43 Q HN 0.364 nan 8.270 nan 0.000 0.424 44 I N 0.657 121.194 120.570 -0.055 0.000 2.226 44 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 44 I C 2.021 178.146 176.117 0.013 0.000 1.100 44 I CA 1.448 62.698 61.300 -0.084 0.000 1.374 44 I CB -0.292 37.705 38.000 -0.005 0.000 1.057 44 I HN 0.246 nan 8.210 nan 0.000 0.413 45 D N 0.772 121.223 120.400 0.084 0.000 2.097 45 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 45 D C 2.315 178.625 176.300 0.017 0.000 0.989 45 D CA 1.458 55.546 54.000 0.145 0.000 0.827 45 D CB 0.099 40.985 40.800 0.143 0.000 0.966 45 D HN 0.074 nan 8.370 nan 0.000 0.456 46 R N -0.939 119.548 120.500 -0.022 0.000 2.105 46 R HA -0.082 4.258 4.340 -0.000 0.000 0.239 46 R C 2.132 178.324 176.300 -0.180 0.000 1.135 46 R CA 1.177 57.231 56.100 -0.077 0.000 0.967 46 R CB -0.549 29.720 30.300 -0.051 0.000 0.861 46 R HN 0.277 nan 8.270 nan 0.000 0.442 47 F N 0.138 119.890 119.950 -0.331 0.000 2.095 47 F HA -0.203 4.323 4.527 -0.000 0.000 0.298 47 F C 1.497 176.952 175.800 -0.576 0.000 1.104 47 F CA 1.506 59.206 58.000 -0.500 0.000 1.232 47 F CB -0.134 38.450 39.000 -0.692 0.000 0.987 47 F HN -0.107 nan 8.300 nan 0.000 0.475 48 F N 0.630 120.345 119.950 -0.392 0.000 2.259 48 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 48 F C 2.386 177.626 175.800 -0.932 0.000 1.088 48 F CA 0.865 58.454 58.000 -0.685 0.000 1.358 48 F CB -0.837 37.733 39.000 -0.716 0.000 1.040 48 F HN -0.149 nan 8.300 nan 0.000 0.505 49 R N 0.337 120.478 120.500 -0.597 0.000 2.105 49 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 49 R C 1.715 177.836 176.300 -0.299 0.000 1.135 49 R CA 1.725 57.597 56.100 -0.379 0.000 0.967 49 R CB -1.112 29.103 30.300 -0.141 0.000 0.861 49 R HN 0.440 nan 8.270 nan 0.000 0.442 50 N N 0.330 118.813 118.700 -0.363 0.000 2.216 50 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 50 N C -0.159 175.145 175.510 -0.343 0.000 1.017 50 N CA 0.816 53.664 53.050 -0.338 0.000 0.861 50 N CB 0.089 38.336 38.487 -0.402 0.000 0.986 50 N HN 0.260 nan 8.380 nan 0.000 0.428 51 N N -0.090 118.324 118.700 -0.476 0.000 2.765 51 N HA 0.187 4.927 4.740 -0.000 0.000 0.277 51 N C -2.355 173.052 175.510 -0.172 0.000 1.750 51 N CA -0.982 51.877 53.050 -0.318 0.000 0.827 51 N CB 1.844 40.023 38.487 -0.513 0.000 1.200 51 N HN -0.002 nan 8.380 nan 0.000 0.494 52 P HA -0.202 nan 4.420 nan 0.000 0.217 52 P C 0.502 177.737 177.300 -0.110 0.000 1.148 52 P CA 1.404 64.397 63.100 -0.177 0.000 0.828 52 P CB 0.097 31.652 31.700 -0.242 0.000 0.783 53 H N -1.952 117.157 119.070 0.065 0.000 2.518 53 H HA -0.062 4.494 4.556 -0.000 0.000 0.292 53 H C 1.314 176.734 175.328 0.153 0.000 1.068 53 H CA 0.612 56.714 56.048 0.090 0.000 1.275 53 H CB -0.640 29.159 29.762 0.062 0.000 1.375 53 H HN 0.090 nan 8.280 nan 0.000 0.563 54 L N -0.305 121.118 121.223 0.332 0.000 2.416 54 L HA 0.221 4.561 4.340 -0.000 0.000 0.216 54 L C 2.439 179.638 176.870 0.548 0.000 1.098 54 L CA 0.894 56.012 54.840 0.463 0.000 0.840 54 L CB -0.819 41.590 42.059 0.583 0.000 0.981 54 L HN 0.285 nan 8.230 nan 0.000 0.462 55 A N -0.385 122.643 122.820 0.346 0.000 1.903 55 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 55 A C 2.503 180.123 177.584 0.060 0.000 1.191 55 A CA 2.261 54.237 52.037 -0.102 0.000 0.638 55 A CB -1.187 17.638 19.000 -0.291 0.000 0.823 55 A HN 0.215 nan 8.150 nan 0.000 0.451 56 V N -0.175 119.796 119.914 0.095 0.000 2.380 56 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 56 V C 2.351 178.492 176.094 0.079 0.000 1.063 56 V CA 2.799 65.144 62.300 0.075 0.000 1.055 56 V CB -0.593 31.277 31.823 0.079 0.000 0.657 56 V HN 0.759 nan 8.190 nan 0.000 0.455 57 Q N -1.839 118.031 119.800 0.116 0.000 2.435 57 Q HA -0.069 4.271 4.340 -0.000 0.000 0.207 57 Q C 1.358 177.259 176.000 -0.165 0.000 0.956 57 Q CA 1.179 56.973 55.803 -0.015 0.000 0.917 57 Q CB 0.029 28.741 28.738 -0.044 0.000 0.997 57 Q HN 0.837 nan 8.270 nan 0.000 0.497 58 Y N -0.691 119.676 120.300 0.111 0.000 2.457 58 Y HA 0.123 4.673 4.550 -0.001 0.000 0.263 58 Y C 1.260 177.195 175.900 0.059 0.000 1.164 58 Y CA -0.026 58.145 58.100 0.119 0.000 1.274 58 Y CB 0.374 38.967 38.460 0.221 0.000 1.097 58 Y HN 0.057 nan 8.280 nan 0.000 0.523 59 L N -0.617 120.666 121.223 0.100 0.000 2.450 59 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 59 L C 1.720 178.628 176.870 0.063 0.000 1.149 59 L CA 1.139 56.018 54.840 0.065 0.000 0.816 59 L CB -0.204 41.877 42.059 0.036 0.000 0.932 59 L HN 0.246 nan 8.230 nan 0.000 0.449 60 A N -1.867 120.988 122.820 0.058 0.000 2.606 60 A HA 0.090 4.410 4.320 -0.000 0.000 0.290 60 A C 0.240 177.871 177.584 0.079 0.000 1.174 60 A CA -0.437 51.633 52.037 0.055 0.000 0.958 60 A CB -0.101 18.916 19.000 0.029 0.000 1.194 60 A HN 0.143 nan 8.150 nan 0.000 0.526 61 D N 0.807 121.282 120.400 0.126 0.000 2.414 61 D HA 0.123 4.763 4.640 -0.000 0.000 0.242 61 D C -1.551 174.854 176.300 0.175 0.000 1.129 61 D CA -1.021 53.085 54.000 0.178 0.000 0.885 61 D CB 1.453 42.433 40.800 0.300 0.000 1.198 61 D HN 0.032 nan 8.370 nan 0.000 0.437 62 P HA -0.019 nan 4.420 nan 0.000 0.223 62 P C 0.115 177.583 177.300 0.280 0.000 1.151 62 P CA 0.385 63.598 63.100 0.187 0.000 0.787 62 P CB 0.068 31.859 31.700 0.151 0.000 0.788 63 F N 1.421 121.423 119.950 0.087 0.000 2.404 63 F HA 0.141 4.668 4.527 -0.000 0.000 0.358 63 F C 1.479 177.308 175.800 0.048 0.000 1.120 63 F CA -2.177 55.843 58.000 0.032 0.000 1.144 63 F CB 0.108 39.072 39.000 -0.060 0.000 1.133 63 F HN 0.069 nan 8.300 nan 0.000 0.495 64 W N 4.484 125.632 121.300 -0.254 0.000 2.317 64 W HA -0.287 4.373 4.660 -0.000 0.000 0.318 64 W C 1.405 177.656 176.519 -0.445 0.000 1.227 64 W CA 1.745 58.915 57.345 -0.290 0.000 1.269 64 W CB -0.964 28.375 29.460 -0.202 0.000 1.155 64 W HN 0.644 nan 8.180 nan 0.000 0.484 65 E N 1.206 120.259 120.200 -1.910 0.000 2.085 65 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 65 E C 2.548 178.731 176.600 -0.696 0.000 0.994 65 E CA 2.373 57.785 56.400 -1.648 0.000 0.801 65 E CB -0.562 27.734 29.700 -2.339 0.000 0.743 65 E HN 0.273 nan 8.360 nan 0.000 0.453 66 R N 0.041 120.188 120.500 -0.588 0.000 2.081 66 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 66 R C 2.580 178.906 176.300 0.043 0.000 1.131 66 R CA 1.692 57.783 56.100 -0.015 0.000 0.960 66 R CB -0.193 30.254 30.300 0.245 0.000 0.856 66 R HN 0.110 nan 8.270 nan 0.000 0.436 67 R N -0.109 120.400 120.500 0.015 0.000 2.073 67 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 67 R C 2.166 178.488 176.300 0.037 0.000 1.134 67 R CA 1.699 57.841 56.100 0.070 0.000 0.952 67 R CB -0.356 30.000 30.300 0.093 0.000 0.850 67 R HN 0.326 nan 8.270 nan 0.000 0.433 68 A N 1.080 123.920 122.820 0.033 0.000 1.940 68 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 68 A C 2.043 179.641 177.584 0.024 0.000 1.176 68 A CA 1.417 53.491 52.037 0.061 0.000 0.631 68 A CB -0.464 18.628 19.000 0.152 0.000 0.814 68 A HN 0.318 nan 8.150 nan 0.000 0.446 69 I N -0.249 120.332 120.570 0.018 0.000 2.353 69 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 69 I C 2.868 179.002 176.117 0.027 0.000 1.119 69 I CA 1.308 62.656 61.300 0.079 0.000 1.417 69 I CB -1.704 36.413 38.000 0.196 0.000 1.078 69 I HN 0.344 nan 8.210 nan 0.000 0.421 70 A N 1.178 123.923 122.820 -0.126 0.000 1.933 70 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 70 A C 2.550 180.036 177.584 -0.163 0.000 1.175 70 A CA 1.636 53.451 52.037 -0.371 0.000 0.628 70 A CB -0.962 17.866 19.000 -0.287 0.000 0.814 70 A HN 0.239 nan 8.150 nan 0.000 0.444 71 V N 0.120 119.984 119.914 -0.083 0.000 2.324 71 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 71 V C 2.623 178.649 176.094 -0.114 0.000 1.060 71 V CA 2.450 64.713 62.300 -0.063 0.000 1.042 71 V CB -0.859 30.950 31.823 -0.025 0.000 0.650 71 V HN 0.714 nan 8.190 nan 0.000 0.450 72 R N -0.994 119.400 120.500 -0.178 0.000 2.159 72 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 72 R C 1.803 177.735 176.300 -0.614 0.000 1.131 72 R CA 1.905 57.767 56.100 -0.397 0.000 0.982 72 R CB -0.147 29.861 30.300 -0.487 0.000 0.868 72 R HN 0.651 nan 8.270 nan 0.000 0.453 73 Y N -1.309 118.904 120.300 -0.145 0.000 2.426 73 Y HA 0.378 4.928 4.550 -0.000 0.000 0.249 73 Y C 0.658 176.481 175.900 -0.129 0.000 1.103 73 Y CA -0.436 57.582 58.100 -0.137 0.000 1.256 73 Y CB 0.524 38.895 38.460 -0.149 0.000 1.208 73 Y HN -0.105 nan 8.280 nan 0.000 0.519 74 S N 2.173 117.863 115.700 -0.018 0.000 2.589 74 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 74 S C -2.424 172.169 174.600 -0.012 0.000 1.342 74 S CA -0.907 57.285 58.200 -0.013 0.000 1.005 74 S CB 0.174 63.362 63.200 -0.020 0.000 0.909 74 S HN -0.056 nan 8.310 nan 0.000 0.555 75 P HA 0.114 nan 4.420 nan 0.000 0.275 75 P C 1.126 178.424 177.300 -0.003 0.000 1.227 75 P CA -0.513 62.589 63.100 0.003 0.000 0.781 75 P CB 0.517 32.227 31.700 0.017 0.000 0.906 76 V N 1.581 121.490 119.914 -0.009 0.000 2.453 76 V HA -0.306 3.814 4.120 -0.000 0.000 0.252 76 V C 1.352 177.444 176.094 -0.003 0.000 1.068 76 V CA 2.008 64.302 62.300 -0.009 0.000 1.070 76 V CB -1.269 30.548 31.823 -0.011 0.000 0.664 76 V HN 0.385 nan 8.190 nan 0.000 0.461 77 E N 2.159 122.360 120.200 0.002 0.000 2.110 77 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 77 E C 2.293 178.897 176.600 0.006 0.000 0.988 77 E CA 1.560 57.962 56.400 0.004 0.000 0.804 77 E CB -0.857 28.848 29.700 0.007 0.000 0.745 77 E HN 0.748 nan 8.360 nan 0.000 0.458 78 A N 0.630 123.455 122.820 0.008 0.000 2.172 78 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 78 A C 1.657 179.245 177.584 0.007 0.000 1.154 78 A CA 0.709 52.752 52.037 0.010 0.000 0.701 78 A CB -0.286 18.723 19.000 0.014 0.000 0.789 78 A HN 0.114 nan 8.150 nan 0.000 0.465 79 L N -0.452 120.772 121.223 0.002 0.000 2.217 79 L HA -0.064 4.275 4.340 -0.000 0.000 0.211 79 L C 2.529 179.400 176.870 0.002 0.000 1.107 79 L CA 2.066 56.906 54.840 0.001 0.000 0.783 79 L CB -1.720 40.337 42.059 -0.004 0.000 0.919 79 L HN 0.376 nan 8.230 nan 0.000 0.442 80 T N 0.614 115.169 114.554 0.001 0.000 2.624 80 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 80 T C -0.305 174.397 174.700 0.003 0.000 1.050 80 T CA 2.050 64.151 62.100 0.001 0.000 1.163 80 T CB -1.380 67.489 68.868 0.002 0.000 0.861 80 T HN 0.241 nan 8.240 nan 0.000 0.443 81 P HA 0.021 nan 4.420 nan 0.000 0.223 81 P C 1.180 178.486 177.300 0.010 0.000 1.144 81 P CA 0.608 63.714 63.100 0.009 0.000 0.783 81 P CB -0.127 31.581 31.700 0.012 0.000 0.771 82 L N -1.934 119.294 121.223 0.009 0.000 2.418 82 L HA -0.001 4.339 4.340 -0.000 0.000 0.218 82 L C 1.892 178.764 176.870 0.003 0.000 1.125 82 L CA 0.837 55.683 54.840 0.010 0.000 0.835 82 L CB -1.310 40.757 42.059 0.013 0.000 0.953 82 L HN -0.008 nan 8.230 nan 0.000 0.454 83 I N 0.058 120.626 120.570 -0.003 0.000 2.381 83 I HA -0.250 3.920 4.170 -0.000 0.000 0.255 83 I C 1.656 177.768 176.117 -0.008 0.000 1.140 83 I CA 1.276 62.569 61.300 -0.011 0.000 1.404 83 I CB -0.406 37.588 38.000 -0.011 0.000 1.075 83 I HN 0.091 nan 8.210 nan 0.000 0.433 84 R N 0.314 120.814 120.500 -0.000 0.000 2.609 84 R HA 0.161 4.501 4.340 -0.000 0.000 0.326 84 R C -0.045 176.258 176.300 0.005 0.000 1.090 84 R CA -0.145 55.956 56.100 0.002 0.000 1.072 84 R CB -0.576 29.727 30.300 0.006 0.000 1.330 84 R HN 0.188 nan 8.270 nan 0.000 0.572 85 D N -0.310 120.093 120.400 0.004 0.000 2.414 85 D HA -0.046 4.593 4.640 -0.000 0.000 0.242 85 D C 0.799 177.100 176.300 0.002 0.000 1.129 85 D CA 0.318 54.324 54.000 0.011 0.000 0.885 85 D CB 1.242 42.053 40.800 0.018 0.000 1.198 85 D HN 0.258 nan 8.370 nan 0.000 0.437 86 S N 2.250 117.955 115.700 0.008 0.000 2.447 86 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 86 S C 0.582 175.167 174.600 -0.025 0.000 1.006 86 S CA 0.297 58.495 58.200 -0.002 0.000 0.957 86 S CB 0.148 63.354 63.200 0.010 0.000 0.773 86 S HN 0.556 nan 8.310 nan 0.000 0.507 87 D N 1.277 121.661 120.400 -0.027 0.000 2.198 87 D HA 0.196 4.836 4.640 -0.000 0.000 0.245 87 D C 1.372 177.619 176.300 -0.088 0.000 1.079 87 D CA -0.502 53.447 54.000 -0.086 0.000 0.854 87 D CB 1.100 41.850 40.800 -0.083 0.000 1.148 87 D HN 0.191 nan 8.370 nan 0.000 0.456 88 E N 3.061 123.182 120.200 -0.130 0.000 2.110 88 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 88 E C 1.611 178.157 176.600 -0.090 0.000 0.988 88 E CA 1.053 57.389 56.400 -0.106 0.000 0.804 88 E CB -0.428 29.202 29.700 -0.116 0.000 0.745 88 E HN 0.389 nan 8.360 nan 0.000 0.458 89 V N 1.696 121.531 119.914 -0.132 0.000 2.490 89 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 89 V C 2.717 178.843 176.094 0.055 0.000 1.061 89 V CA 1.481 63.755 62.300 -0.043 0.000 1.064 89 V CB -0.459 31.315 31.823 -0.081 0.000 0.670 89 V HN 0.112 nan 8.190 nan 0.000 0.461 90 V N -0.185 119.760 119.914 0.052 0.000 2.379 90 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 90 V C 2.571 178.687 176.094 0.036 0.000 1.044 90 V CA 1.775 64.117 62.300 0.071 0.000 1.036 90 V CB -0.773 31.092 31.823 0.071 0.000 0.664 90 V HN 0.415 nan 8.190 nan 0.000 0.453 91 R N -0.038 120.464 120.500 0.004 0.000 2.096 91 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 91 R C 2.582 178.867 176.300 -0.025 0.000 1.127 91 R CA 1.383 57.472 56.100 -0.018 0.000 0.968 91 R CB -0.278 29.999 30.300 -0.039 0.000 0.861 91 R HN 0.495 nan 8.270 nan 0.000 0.440 92 R N 0.086 120.577 120.500 -0.015 0.000 2.096 92 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 92 R C 2.308 178.677 176.300 0.116 0.000 1.127 92 R CA 1.346 57.438 56.100 -0.013 0.000 0.968 92 R CB -0.344 29.973 30.300 0.029 0.000 0.861 92 R HN 0.190 nan 8.270 nan 0.000 0.440 93 A N 0.867 123.777 122.820 0.149 0.000 1.877 93 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 93 A C 2.389 180.065 177.584 0.153 0.000 1.186 93 A CA 1.439 53.591 52.037 0.190 0.000 0.620 93 A CB -0.609 18.444 19.000 0.087 0.000 0.822 93 A HN 0.107 nan 8.150 nan 0.000 0.443 94 V N 0.122 120.074 119.914 0.063 0.000 2.287 94 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 94 V C 3.063 179.161 176.094 0.007 0.000 1.053 94 V CA 1.998 64.313 62.300 0.024 0.000 1.027 94 V CB -1.458 30.366 31.823 0.001 0.000 0.646 94 V HN 0.631 nan 8.190 nan 0.000 0.447 95 A N -0.798 121.995 122.820 -0.044 0.000 1.927 95 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 95 A C 2.032 179.538 177.584 -0.130 0.000 1.185 95 A CA 2.338 54.291 52.037 -0.139 0.000 0.639 95 A CB -0.901 17.939 19.000 -0.266 0.000 0.820 95 A HN 0.632 nan 8.150 nan 0.000 0.451 96 Y N -0.665 119.601 120.300 -0.057 0.000 2.509 96 Y HA -0.055 4.495 4.550 -0.000 0.000 0.293 96 Y C 2.458 178.325 175.900 -0.055 0.000 1.133 96 Y CA 1.421 59.489 58.100 -0.055 0.000 1.283 96 Y CB 0.016 38.441 38.460 -0.059 0.000 1.001 96 Y HN 0.313 nan 8.280 nan 0.000 0.555 97 R N -1.608 118.945 120.500 0.088 0.000 2.394 97 R HA 0.140 4.480 4.340 -0.000 0.000 0.220 97 R C -0.114 176.188 176.300 0.004 0.000 0.887 97 R CA -0.400 55.719 56.100 0.031 0.000 1.034 97 R CB 0.184 30.487 30.300 0.005 0.000 1.179 97 R HN 0.003 nan 8.270 nan 0.000 0.561 98 L N 3.473 124.692 121.223 -0.006 0.000 2.554 98 L HA 0.011 4.351 4.340 -0.000 0.000 0.293 98 L C -2.126 174.735 176.870 -0.016 0.000 1.252 98 L CA -1.563 53.267 54.840 -0.017 0.000 0.862 98 L CB -0.103 41.938 42.059 -0.030 0.000 1.113 98 L HN -0.080 nan 8.230 nan 0.000 0.510 99 P HA 0.150 nan 4.420 nan 0.000 0.271 99 P C 0.458 177.748 177.300 -0.017 0.000 1.226 99 P CA -0.199 62.894 63.100 -0.012 0.000 0.765 99 P CB 0.472 32.167 31.700 -0.009 0.000 0.835 100 R N 3.174 123.663 120.500 -0.018 0.000 2.261 100 R HA -0.329 4.011 4.340 -0.000 0.000 0.241 100 R C 1.978 178.262 176.300 -0.027 0.000 1.113 100 R CA 2.646 58.732 56.100 -0.025 0.000 0.908 100 R CB -0.974 29.315 30.300 -0.019 0.000 0.938 100 R HN 0.666 nan 8.270 nan 0.000 0.427 101 E N 1.176 121.364 120.200 -0.019 0.000 2.154 101 E HA -0.365 3.985 4.350 -0.000 0.000 0.240 101 E C 1.632 178.220 176.600 -0.021 0.000 1.059 101 E CA 2.032 58.423 56.400 -0.016 0.000 0.954 101 E CB -0.841 28.854 29.700 -0.010 0.000 0.842 101 E HN 0.518 nan 8.360 nan 0.000 0.508 102 Q N 0.645 120.433 119.800 -0.019 0.000 2.641 102 Q HA -0.078 4.261 4.340 -0.000 0.000 0.220 102 Q C 2.134 178.113 176.000 -0.035 0.000 0.977 102 Q CA 0.499 56.290 55.803 -0.020 0.000 0.930 102 Q CB -0.379 28.350 28.738 -0.015 0.000 0.976 102 Q HN 0.451 nan 8.270 nan 0.000 0.563 103 L N -0.352 120.842 121.223 -0.047 0.000 2.156 103 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 103 L C 2.073 178.885 176.870 -0.096 0.000 1.095 103 L CA 0.743 55.538 54.840 -0.074 0.000 0.770 103 L CB -0.199 41.811 42.059 -0.081 0.000 0.914 103 L HN 0.210 nan 8.230 nan 0.000 0.439 104 S N 0.366 116.019 115.700 -0.078 0.000 2.420 104 S HA -0.229 4.240 4.470 -0.000 0.000 0.237 104 S C 2.121 176.672 174.600 -0.081 0.000 1.023 104 S CA 1.154 59.300 58.200 -0.090 0.000 0.991 104 S CB -0.333 62.849 63.200 -0.029 0.000 0.792 104 S HN 0.533 nan 8.310 nan 0.000 0.488 105 A N 0.849 123.640 122.820 -0.048 0.000 2.015 105 A HA 0.056 4.375 4.320 -0.000 0.000 0.219 105 A C 1.809 179.364 177.584 -0.047 0.000 1.163 105 A CA 0.982 53.005 52.037 -0.022 0.000 0.646 105 A CB -0.263 18.730 19.000 -0.013 0.000 0.806 105 A HN 0.395 nan 8.150 nan 0.000 0.448 106 L N -1.406 119.758 121.223 -0.099 0.000 2.513 106 L HA 0.202 4.541 4.340 -0.000 0.000 0.222 106 L C 2.140 178.886 176.870 -0.208 0.000 1.096 106 L CA 0.959 55.727 54.840 -0.121 0.000 0.857 106 L CB -0.982 41.004 42.059 -0.123 0.000 1.026 106 L HN 0.522 nan 8.230 nan 0.000 0.469 107 M N -0.797 118.609 119.600 -0.323 0.000 2.192 107 M HA -0.275 4.204 4.480 -0.000 0.000 0.256 107 M C 0.434 176.235 176.300 -0.830 0.000 1.076 107 M CA 1.973 56.915 55.300 -0.596 0.000 1.075 107 M CB -0.024 32.110 32.600 -0.778 0.000 1.368 107 M HN 0.141 nan 8.290 nan 0.000 0.406 108 F N -0.060 119.867 119.950 -0.038 0.000 2.855 108 F HA 0.286 4.813 4.527 -0.000 0.000 0.317 108 F C 0.359 176.135 175.800 -0.040 0.000 1.169 108 F CA -1.298 56.681 58.000 -0.035 0.000 1.299 108 F CB -0.454 38.532 39.000 -0.024 0.000 0.962 108 F HN -0.036 nan 8.300 nan 0.000 0.506 109 D N 2.183 122.566 120.400 -0.028 0.000 2.488 109 D HA -0.078 4.561 4.640 -0.000 0.000 0.238 109 D C 1.301 177.592 176.300 -0.015 0.000 1.138 109 D CA 0.348 54.333 54.000 -0.026 0.000 0.873 109 D CB 1.034 41.787 40.800 -0.077 0.000 1.183 109 D HN 0.632 nan 8.370 nan 0.000 0.458 110 E N 2.134 122.329 120.200 -0.009 0.000 2.510 110 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 110 E C -0.200 176.379 176.600 -0.035 0.000 1.072 110 E CA 0.322 56.714 56.400 -0.013 0.000 0.883 110 E CB 0.118 29.811 29.700 -0.011 0.000 0.818 110 E HN 0.292 nan 8.360 nan 0.000 0.548 111 D N 0.148 120.514 120.400 -0.055 0.000 2.381 111 D HA 0.106 4.746 4.640 -0.000 0.000 0.235 111 D C 0.944 177.186 176.300 -0.097 0.000 1.068 111 D CA -0.855 53.101 54.000 -0.074 0.000 0.832 111 D CB 1.222 41.972 40.800 -0.083 0.000 1.101 111 D HN 0.039 nan 8.370 nan 0.000 0.515 112 R N 3.323 123.765 120.500 -0.097 0.000 2.127 112 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 112 R C 0.930 177.123 176.300 -0.178 0.000 1.134 112 R CA 1.506 57.528 56.100 -0.130 0.000 0.975 112 R CB -0.182 30.050 30.300 -0.114 0.000 0.865 112 R HN 0.413 nan 8.270 nan 0.000 0.447 113 E N 0.434 120.540 120.200 -0.157 0.000 2.152 113 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 113 E C 2.089 178.553 176.600 -0.225 0.000 0.983 113 E CA 1.255 57.547 56.400 -0.181 0.000 0.818 113 E CB -0.177 29.452 29.700 -0.118 0.000 0.758 113 E HN 0.276 nan 8.360 nan 0.000 0.467 114 V N 1.554 121.352 119.914 -0.193 0.000 2.295 114 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 114 V C 2.430 178.375 176.094 -0.248 0.000 1.049 114 V CA 1.702 63.874 62.300 -0.213 0.000 1.024 114 V CB -0.410 31.320 31.823 -0.155 0.000 0.648 114 V HN 0.183 nan 8.190 nan 0.000 0.447 115 R N -0.359 120.005 120.500 -0.227 0.000 2.081 115 R HA -0.071 4.268 4.340 -0.000 0.000 0.235 115 R C 2.255 178.367 176.300 -0.313 0.000 1.131 115 R CA 1.613 57.569 56.100 -0.242 0.000 0.960 115 R CB -0.430 29.752 30.300 -0.196 0.000 0.856 115 R HN 0.442 nan 8.270 nan 0.000 0.436 116 I N 0.384 120.715 120.570 -0.399 0.000 2.335 116 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 116 I C 1.958 177.719 176.117 -0.594 0.000 1.129 116 I CA 1.358 62.258 61.300 -0.667 0.000 1.402 116 I CB -0.444 37.102 38.000 -0.758 0.000 1.069 116 I HN 0.212 nan 8.210 nan 0.000 0.424 117 T N 0.517 114.810 114.554 -0.436 0.000 2.770 117 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 117 T C 2.058 176.587 174.700 -0.284 0.000 1.039 117 T CA 1.550 63.408 62.100 -0.404 0.000 1.142 117 T CB -0.556 67.946 68.868 -0.611 0.000 0.868 117 T HN 0.390 nan 8.240 nan 0.000 0.435 118 V N 1.486 121.244 119.914 -0.261 0.000 2.490 118 V HA -0.037 4.083 4.120 -0.000 0.000 0.250 118 V C 2.556 178.565 176.094 -0.142 0.000 1.061 118 V CA 1.733 63.918 62.300 -0.191 0.000 1.064 118 V CB -1.332 30.375 31.823 -0.195 0.000 0.670 118 V HN 0.441 nan 8.190 nan 0.000 0.461 119 A N 0.447 123.178 122.820 -0.149 0.000 1.933 119 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 119 A C 1.997 179.604 177.584 0.038 0.000 1.175 119 A CA 2.166 54.167 52.037 -0.060 0.000 0.628 119 A CB -0.993 17.973 19.000 -0.056 0.000 0.814 119 A HN 0.728 nan 8.150 nan 0.000 0.444 120 D N -1.257 119.188 120.400 0.074 0.000 2.269 120 D HA -0.082 4.557 4.640 -0.000 0.000 0.208 120 D C 2.143 178.462 176.300 0.031 0.000 0.963 120 D CA 0.919 55.001 54.000 0.137 0.000 0.864 120 D CB 0.057 40.977 40.800 0.200 0.000 0.936 120 D HN 0.361 nan 8.370 nan 0.000 0.505 121 R N -0.446 120.043 120.500 -0.019 0.000 2.123 121 R HA 0.193 4.533 4.340 -0.000 0.000 0.209 121 R C 0.659 176.940 176.300 -0.031 0.000 1.078 121 R CA -0.121 55.960 56.100 -0.030 0.000 1.028 121 R CB -0.314 29.952 30.300 -0.057 0.000 0.939 121 R HN 0.210 nan 8.270 nan 0.000 0.463 122 L N 3.822 125.019 121.223 -0.044 0.000 2.559 122 L HA 0.022 4.361 4.340 -0.000 0.000 0.282 122 L C -2.054 174.803 176.870 -0.022 0.000 1.232 122 L CA -1.352 53.464 54.840 -0.040 0.000 0.885 122 L CB -0.125 41.902 42.059 -0.053 0.000 1.131 122 L HN -0.148 nan 8.230 nan 0.000 0.498 123 P HA -0.006 nan 4.420 nan 0.000 0.267 123 P C 0.491 177.789 177.300 -0.003 0.000 1.205 123 P CA -0.492 62.603 63.100 -0.009 0.000 0.765 123 P CB 0.468 32.164 31.700 -0.007 0.000 0.828 124 L N 3.544 124.767 121.223 0.000 0.000 2.002 124 L HA -0.283 4.057 4.340 -0.000 0.000 0.242 124 L C 2.501 179.380 176.870 0.016 0.000 1.095 124 L CA 2.083 56.927 54.840 0.007 0.000 0.834 124 L CB -2.093 39.972 42.059 0.010 0.000 0.918 124 L HN 0.641 nan 8.230 nan 0.000 0.438 125 E N 0.255 120.468 120.200 0.022 0.000 2.654 125 E HA -0.456 3.893 4.350 -0.000 0.000 0.247 125 E C 1.943 178.561 176.600 0.031 0.000 0.985 125 E CA 2.494 58.912 56.400 0.029 0.000 1.260 125 E CB -1.104 28.610 29.700 0.024 0.000 1.214 125 E HN 0.657 nan 8.360 nan 0.000 0.499 126 Q N 0.820 120.632 119.800 0.020 0.000 2.197 126 Q HA -0.185 4.155 4.340 -0.000 0.000 0.211 126 Q C 2.541 178.550 176.000 0.014 0.000 0.993 126 Q CA 1.887 57.700 55.803 0.017 0.000 0.883 126 Q CB -0.219 28.520 28.738 0.001 0.000 0.916 126 Q HN 0.515 nan 8.270 nan 0.000 0.418 127 L N 0.565 121.794 121.223 0.009 0.000 1.971 127 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 127 L C 2.256 179.153 176.870 0.044 0.000 1.072 127 L CA 1.688 56.533 54.840 0.010 0.000 0.758 127 L CB -0.462 41.602 42.059 0.009 0.000 0.889 127 L HN 0.352 nan 8.230 nan 0.000 0.433 128 E N -0.152 120.090 120.200 0.069 0.000 2.236 128 E HA -0.342 4.008 4.350 -0.000 0.000 0.205 128 E C 1.989 178.660 176.600 0.118 0.000 1.028 128 E CA 1.741 58.208 56.400 0.112 0.000 0.827 128 E CB -0.246 29.513 29.700 0.100 0.000 0.735 128 E HN 0.674 nan 8.360 nan 0.000 0.470 129 Q N -0.970 118.890 119.800 0.100 0.000 2.364 129 Q HA -0.076 4.264 4.340 -0.000 0.000 0.209 129 Q C 1.774 177.875 176.000 0.168 0.000 0.977 129 Q CA 0.854 56.739 55.803 0.136 0.000 0.885 129 Q CB -0.049 28.783 28.738 0.156 0.000 0.941 129 Q HN 0.374 nan 8.270 nan 0.000 0.464 130 M N -1.193 118.475 119.600 0.113 0.000 2.428 130 M HA 0.169 4.649 4.480 -0.000 0.000 0.239 130 M C 1.794 178.179 176.300 0.141 0.000 1.121 130 M CA -0.008 55.352 55.300 0.101 0.000 1.019 130 M CB 0.319 32.924 32.600 0.008 0.000 1.485 130 M HN 0.076 nan 8.290 nan 0.000 0.484 131 A N 0.956 123.895 122.820 0.198 0.000 2.131 131 A HA 0.027 4.346 4.320 -0.000 0.000 0.220 131 A C 1.907 179.659 177.584 0.280 0.000 1.158 131 A CA 1.796 54.037 52.037 0.340 0.000 0.665 131 A CB -0.450 18.817 19.000 0.446 0.000 0.795 131 A HN 0.510 nan 8.150 nan 0.000 0.460 132 A N -0.774 122.150 122.820 0.174 0.000 2.574 132 A HA 0.275 4.595 4.320 -0.000 0.000 0.283 132 A C 0.258 177.913 177.584 0.119 0.000 1.270 132 A CA -0.232 51.881 52.037 0.126 0.000 0.945 132 A CB -0.148 18.899 19.000 0.079 0.000 1.127 132 A HN 0.354 nan 8.150 nan 0.000 0.522 133 D N 1.158 121.634 120.400 0.127 0.000 2.458 133 D HA 0.015 4.654 4.640 -0.000 0.000 0.243 133 D C 1.504 177.855 176.300 0.084 0.000 1.146 133 D CA 0.053 54.111 54.000 0.097 0.000 0.877 133 D CB 0.875 41.712 40.800 0.063 0.000 1.176 133 D HN 0.497 nan 8.370 nan 0.000 0.461 134 R N 2.947 123.489 120.500 0.069 0.000 2.139 134 R HA -0.113 4.227 4.340 -0.000 0.000 0.243 134 R C 0.717 177.061 176.300 0.073 0.000 1.145 134 R CA 0.930 57.069 56.100 0.064 0.000 0.976 134 R CB -0.092 30.236 30.300 0.048 0.000 0.866 134 R HN 0.297 nan 8.270 nan 0.000 0.449 135 D N 0.589 121.020 120.400 0.051 0.000 2.295 135 D HA -0.051 4.589 4.640 -0.000 0.000 0.248 135 D C 0.514 176.839 176.300 0.041 0.000 1.154 135 D CA -0.465 53.555 54.000 0.034 0.000 0.857 135 D CB 0.629 41.400 40.800 -0.048 0.000 1.117 135 D HN 0.327 nan 8.370 nan 0.000 0.468 136 Y N 4.103 124.417 120.300 0.023 0.000 2.193 136 Y HA -0.199 4.351 4.550 -0.000 0.000 0.285 136 Y C 1.725 177.644 175.900 0.032 0.000 1.166 136 Y CA 1.077 59.195 58.100 0.030 0.000 1.181 136 Y CB -0.348 38.127 38.460 0.025 0.000 0.976 136 Y HN 0.439 nan 8.280 nan 0.000 0.520 137 L N -0.248 120.417 121.223 -0.929 0.000 2.056 137 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 137 L C 2.430 179.182 176.870 -0.198 0.000 1.078 137 L CA 1.196 55.626 54.840 -0.682 0.000 0.749 137 L CB -0.363 41.269 42.059 -0.712 0.000 0.901 137 L HN 0.280 nan 8.230 nan 0.000 0.433 138 V N -0.532 119.263 119.914 -0.198 0.000 2.343 138 V HA -0.291 3.828 4.120 -0.000 0.000 0.247 138 V C 2.527 178.614 176.094 -0.012 0.000 1.051 138 V CA 1.677 63.904 62.300 -0.122 0.000 1.036 138 V CB -0.693 31.062 31.823 -0.113 0.000 0.654 138 V HN 0.418 nan 8.190 nan 0.000 0.451 139 R N -0.032 120.470 120.500 0.002 0.000 2.081 139 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 139 R C 2.458 178.725 176.300 -0.055 0.000 1.131 139 R CA 1.497 57.605 56.100 0.013 0.000 0.960 139 R CB -0.574 29.783 30.300 0.094 0.000 0.856 139 R HN 0.541 nan 8.270 nan 0.000 0.436 140 A N -0.025 122.803 122.820 0.014 0.000 1.933 140 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 140 A C 1.779 179.343 177.584 -0.033 0.000 1.175 140 A CA 1.224 53.262 52.037 0.001 0.000 0.628 140 A CB -0.622 18.428 19.000 0.084 0.000 0.814 140 A HN 0.324 nan 8.150 nan 0.000 0.444 141 Y N -0.172 120.048 120.300 -0.134 0.000 2.200 141 Y HA -0.155 4.394 4.550 -0.000 0.000 0.290 141 Y C 2.641 178.458 175.900 -0.138 0.000 1.137 141 Y CA 1.353 59.378 58.100 -0.124 0.000 1.163 141 Y CB -0.530 37.858 38.460 -0.120 0.000 0.988 141 Y HN 0.103 nan 8.280 nan 0.000 0.518 142 V N -1.262 118.638 119.914 -0.022 0.000 2.237 142 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 142 V C 2.286 178.234 176.094 -0.242 0.000 1.046 142 V CA 1.760 63.992 62.300 -0.113 0.000 1.007 142 V CB -1.107 30.648 31.823 -0.114 0.000 0.638 142 V HN 0.183 nan 8.190 nan 0.000 0.445 143 V N -0.129 119.540 119.914 -0.408 0.000 2.546 143 V HA -0.342 3.778 4.120 -0.000 0.000 0.254 143 V C 2.468 178.410 176.094 -0.254 0.000 1.076 143 V CA 2.331 64.356 62.300 -0.457 0.000 1.087 143 V CB -0.706 30.831 31.823 -0.478 0.000 0.674 143 V HN 0.618 nan 8.190 nan 0.000 0.470 144 Q N -0.179 119.494 119.800 -0.211 0.000 2.172 144 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 144 Q C 2.252 178.164 176.000 -0.147 0.000 0.964 144 Q CA 1.586 57.278 55.803 -0.185 0.000 0.855 144 Q CB 0.029 28.619 28.738 -0.246 0.000 0.918 144 Q HN 0.624 nan 8.270 nan 0.000 0.444 145 R N -0.041 120.381 120.500 -0.130 0.000 2.121 145 R HA 0.250 4.590 4.340 -0.000 0.000 0.206 145 R C 0.937 177.202 176.300 -0.058 0.000 1.094 145 R CA 0.454 56.503 56.100 -0.085 0.000 1.055 145 R CB -0.405 29.857 30.300 -0.064 0.000 0.964 145 R HN 0.315 nan 8.270 nan 0.000 0.473 146 I N 1.870 122.407 120.570 -0.054 0.000 2.948 146 I HA 0.122 4.291 4.170 -0.000 0.000 0.290 146 I C -2.284 173.826 176.117 -0.013 0.000 1.226 146 I CA -1.974 59.319 61.300 -0.012 0.000 1.413 146 I CB -0.274 37.742 38.000 0.026 0.000 1.352 146 I HN -0.223 nan 8.210 nan 0.000 0.597 147 P HA 0.139 nan 4.420 nan 0.000 0.268 147 P C -2.123 175.183 177.300 0.011 0.000 1.208 147 P CA -0.895 62.211 63.100 0.010 0.000 0.777 147 P CB -0.106 31.611 31.700 0.028 0.000 0.875 148 P HA -0.172 nan 4.420 nan 0.000 0.216 148 P C 1.476 178.770 177.300 -0.011 0.000 1.150 148 P CA 1.891 64.971 63.100 -0.034 0.000 0.843 148 P CB -0.385 31.295 31.700 -0.033 0.000 0.787 149 G N -0.348 108.502 108.800 0.083 0.000 2.509 149 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 149 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 149 G C 1.444 176.504 174.900 0.266 0.000 1.124 149 G CA 0.178 45.409 45.100 0.219 0.000 0.776 149 G HN 0.275 nan 8.290 nan 0.000 0.547 150 R N -0.443 120.159 120.500 0.170 0.000 2.317 150 R HA 0.201 4.541 4.340 -0.000 0.000 0.208 150 R C 1.364 177.817 176.300 0.255 0.000 0.914 150 R CA -0.330 55.893 56.100 0.205 0.000 1.060 150 R CB 0.014 30.417 30.300 0.172 0.000 1.015 150 R HN 0.209 nan 8.270 nan 0.000 0.498 151 L N -0.248 121.056 121.223 0.135 0.000 2.376 151 L HA 0.004 4.344 4.340 -0.000 0.000 0.219 151 L C 1.517 178.432 176.870 0.076 0.000 1.133 151 L CA 1.297 56.206 54.840 0.116 0.000 0.816 151 L CB -0.751 41.226 42.059 -0.136 0.000 0.933 151 L HN 0.059 nan 8.230 nan 0.000 0.449 152 F N 0.341 120.357 119.950 0.111 0.000 2.269 152 F HA -0.178 4.349 4.527 -0.000 0.000 0.301 152 F C 2.267 178.066 175.800 -0.001 0.000 1.082 152 F CA 0.877 58.908 58.000 0.051 0.000 1.360 152 F CB -0.502 38.511 39.000 0.021 0.000 1.041 152 F HN 0.154 nan 8.300 nan 0.000 0.512 153 R N -1.053 119.503 120.500 0.094 0.000 2.316 153 R HA -0.035 4.304 4.340 -0.000 0.000 0.202 153 R C 0.946 177.036 176.300 -0.350 0.000 1.029 153 R CA 0.887 56.886 56.100 -0.168 0.000 1.018 153 R CB -0.545 29.554 30.300 -0.334 0.000 0.888 153 R HN 0.267 nan 8.270 nan 0.000 0.471 154 F N -0.048 119.928 119.950 0.043 0.000 2.720 154 F HA 0.271 4.798 4.527 -0.000 0.000 0.301 154 F C 2.084 177.890 175.800 0.009 0.000 1.103 154 F CA -0.263 57.748 58.000 0.019 0.000 1.291 154 F CB -0.053 38.948 39.000 0.001 0.000 1.086 154 F HN -0.163 nan 8.300 nan 0.000 0.592 155 M N -0.095 119.595 119.600 0.150 0.000 2.192 155 M HA -0.221 4.259 4.480 -0.000 0.000 0.256 155 M C 1.019 177.365 176.300 0.075 0.000 1.076 155 M CA 1.777 57.132 55.300 0.090 0.000 1.075 155 M CB 0.041 32.700 32.600 0.100 0.000 1.368 155 M HN -0.091 nan 8.290 nan 0.000 0.406 156 R N -0.007 120.535 120.500 0.071 0.000 2.700 156 R HA 0.168 4.507 4.340 -0.000 0.000 0.377 156 R C -0.552 175.783 176.300 0.058 0.000 1.130 156 R CA -0.112 56.019 56.100 0.052 0.000 1.055 156 R CB -0.585 29.736 30.300 0.036 0.000 1.387 156 R HN 0.385 nan 8.270 nan 0.000 0.580 157 D N 2.430 122.886 120.400 0.093 0.000 2.478 157 D HA -0.099 4.541 4.640 -0.000 0.000 0.234 157 D C 0.965 177.306 176.300 0.068 0.000 1.154 157 D CA 0.388 54.454 54.000 0.109 0.000 0.874 157 D CB 1.218 42.123 40.800 0.175 0.000 1.198 157 D HN 0.162 nan 8.370 nan 0.000 0.455 158 E N 2.530 122.767 120.200 0.061 0.000 2.516 158 E HA -0.104 4.246 4.350 -0.000 0.000 0.199 158 E C -0.387 176.225 176.600 0.020 0.000 1.069 158 E CA 0.158 56.579 56.400 0.036 0.000 0.876 158 E CB -0.134 29.584 29.700 0.031 0.000 0.843 158 E HN 0.401 nan 8.360 nan 0.000 0.530 159 D N 0.032 120.449 120.400 0.029 0.000 2.375 159 D HA 0.196 4.835 4.640 -0.000 0.000 0.247 159 D C 1.154 177.438 176.300 -0.027 0.000 1.061 159 D CA -0.737 53.253 54.000 -0.017 0.000 0.834 159 D CB 1.174 41.974 40.800 0.001 0.000 1.247 159 D HN -0.008 nan 8.370 nan 0.000 0.489 160 R N 2.235 122.694 120.500 -0.070 0.000 2.148 160 R HA -0.095 4.244 4.340 -0.000 0.000 0.227 160 R C 1.216 177.486 176.300 -0.051 0.000 1.103 160 R CA 0.852 56.919 56.100 -0.055 0.000 0.983 160 R CB -0.194 30.068 30.300 -0.063 0.000 0.874 160 R HN 0.388 nan 8.270 nan 0.000 0.451 161 Q N 1.157 120.908 119.800 -0.082 0.000 2.083 161 Q HA -0.072 4.268 4.340 -0.000 0.000 0.198 161 Q C 2.452 178.476 176.000 0.039 0.000 0.969 161 Q CA 1.704 57.495 55.803 -0.020 0.000 0.838 161 Q CB -0.613 28.120 28.738 -0.009 0.000 0.900 161 Q HN 0.397 nan 8.270 nan 0.000 0.436 162 V N 0.691 120.648 119.914 0.071 0.000 2.427 162 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 162 V C 2.099 178.203 176.094 0.016 0.000 1.051 162 V CA 1.354 63.687 62.300 0.054 0.000 1.048 162 V CB -0.272 31.600 31.823 0.082 0.000 0.666 162 V HN 0.224 nan 8.190 nan 0.000 0.456 163 R N 0.043 120.556 120.500 0.022 0.000 2.148 163 R HA -0.089 4.251 4.340 -0.000 0.000 0.227 163 R C 2.422 178.715 176.300 -0.011 0.000 1.103 163 R CA 1.589 57.696 56.100 0.013 0.000 0.983 163 R CB -0.366 29.943 30.300 0.015 0.000 0.874 163 R HN 0.518 nan 8.270 nan 0.000 0.451 164 K N 0.744 121.133 120.400 -0.018 0.000 2.057 164 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 164 K C 2.103 178.680 176.600 -0.038 0.000 1.050 164 K CA 0.998 57.268 56.287 -0.028 0.000 0.935 164 K CB -0.073 32.411 32.500 -0.027 0.000 0.715 164 K HN 0.084 nan 8.250 nan 0.000 0.439 165 L N 0.359 121.558 121.223 -0.041 0.000 2.083 165 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 165 L C 2.185 179.008 176.870 -0.078 0.000 1.083 165 L CA 0.843 55.645 54.840 -0.064 0.000 0.752 165 L CB -0.287 41.726 42.059 -0.076 0.000 0.899 165 L HN 0.020 nan 8.230 nan 0.000 0.433 166 V N -0.058 119.816 119.914 -0.067 0.000 2.295 166 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 166 V C 2.729 178.774 176.094 -0.081 0.000 1.049 166 V CA 1.814 64.069 62.300 -0.074 0.000 1.024 166 V CB -1.028 30.777 31.823 -0.029 0.000 0.648 166 V HN 0.504 nan 8.190 nan 0.000 0.447 167 A N -0.597 122.187 122.820 -0.059 0.000 2.032 167 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 167 A C 2.282 179.828 177.584 -0.064 0.000 1.165 167 A CA 2.306 54.309 52.037 -0.057 0.000 0.645 167 A CB -0.465 18.511 19.000 -0.041 0.000 0.807 167 A HN 0.544 nan 8.150 nan 0.000 0.453 168 K N -0.743 119.618 120.400 -0.066 0.000 2.076 168 K HA -0.004 4.315 4.320 -0.000 0.000 0.204 168 K C 2.036 178.592 176.600 -0.073 0.000 1.051 168 K CA 1.247 57.495 56.287 -0.065 0.000 0.949 168 K CB -0.020 32.441 32.500 -0.064 0.000 0.726 168 K HN 0.483 nan 8.250 nan 0.000 0.443 169 R N -0.156 120.292 120.500 -0.087 0.000 2.290 169 R HA 0.126 4.466 4.340 -0.000 0.000 0.197 169 R C 0.014 176.247 176.300 -0.112 0.000 0.913 169 R CA -0.349 55.696 56.100 -0.092 0.000 1.040 169 R CB -0.019 30.223 30.300 -0.096 0.000 0.992 169 R HN 0.013 nan 8.270 nan 0.000 0.500 170 L N 3.105 124.244 121.223 -0.140 0.000 2.514 170 L HA 0.075 4.414 4.340 -0.000 0.000 0.280 170 L C -2.229 174.562 176.870 -0.131 0.000 1.223 170 L CA -1.595 53.120 54.840 -0.208 0.000 0.864 170 L CB 0.222 42.144 42.059 -0.227 0.000 1.118 170 L HN -0.122 nan 8.230 nan 0.000 0.494 171 P HA 0.018 nan 4.420 nan 0.000 0.267 171 P C 0.371 177.670 177.300 -0.002 0.000 1.205 171 P CA -0.130 62.957 63.100 -0.022 0.000 0.765 171 P CB 0.539 32.268 31.700 0.047 0.000 0.828 172 E N 2.741 122.937 120.200 -0.008 0.000 2.113 172 E HA -0.308 4.042 4.350 -0.000 0.000 0.210 172 E C 1.233 177.843 176.600 0.016 0.000 1.040 172 E CA 2.126 58.522 56.400 -0.007 0.000 0.847 172 E CB -0.068 29.624 29.700 -0.013 0.000 0.755 172 E HN 0.519 nan 8.360 nan 0.000 0.459 173 E N -0.241 119.980 120.200 0.035 0.000 2.160 173 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 173 E C 1.920 178.565 176.600 0.074 0.000 0.991 173 E CA 1.422 57.851 56.400 0.048 0.000 0.810 173 E CB -0.078 29.653 29.700 0.052 0.000 0.742 173 E HN 0.066 nan 8.360 nan 0.000 0.466 174 S N 0.026 115.797 115.700 0.117 0.000 2.556 174 S HA 0.178 4.647 4.470 -0.000 0.000 0.216 174 S C 1.576 176.252 174.600 0.126 0.000 0.970 174 S CA -0.220 58.089 58.200 0.182 0.000 0.912 174 S CB 0.114 63.575 63.200 0.436 0.000 0.790 174 S HN 0.147 nan 8.310 nan 0.000 0.504 175 L N 1.586 122.842 121.223 0.057 0.000 2.127 175 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 175 L C 2.540 179.428 176.870 0.031 0.000 1.089 175 L CA 1.225 56.078 54.840 0.023 0.000 0.757 175 L CB -0.844 41.213 42.059 -0.003 0.000 0.899 175 L HN 0.480 nan 8.230 nan 0.000 0.434 176 G N -0.563 108.261 108.800 0.039 0.000 2.527 176 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 176 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 176 G C 1.418 176.345 174.900 0.044 0.000 1.117 176 G CA 0.107 45.228 45.100 0.036 0.000 0.759 176 G HN 0.186 nan 8.290 nan 0.000 0.556 177 L N 0.140 121.401 121.223 0.064 0.000 2.275 177 L HA 0.213 4.553 4.340 -0.000 0.000 0.215 177 L C 2.598 179.502 176.870 0.056 0.000 1.119 177 L CA 1.141 56.026 54.840 0.075 0.000 0.790 177 L CB -0.294 41.846 42.059 0.134 0.000 0.919 177 L HN 0.278 nan 8.230 nan 0.000 0.443 178 M N -1.880 117.743 119.600 0.039 0.000 2.382 178 M HA 0.031 4.510 4.480 -0.000 0.000 0.247 178 M C 1.797 178.106 176.300 0.016 0.000 1.104 178 M CA 0.698 56.012 55.300 0.023 0.000 1.030 178 M CB -0.311 32.293 32.600 0.007 0.000 1.424 178 M HN 0.325 nan 8.290 nan 0.000 0.486 179 T N -1.747 112.818 114.554 0.019 0.000 3.052 179 T HA -0.175 4.174 4.350 -0.000 0.000 0.270 179 T C 1.339 176.049 174.700 0.017 0.000 1.147 179 T CA 1.318 63.428 62.100 0.017 0.000 1.089 179 T CB -0.172 68.710 68.868 0.022 0.000 0.875 179 T HN 0.282 nan 8.240 nan 0.000 0.541 180 Q N 0.755 120.566 119.800 0.018 0.000 2.157 180 Q HA 0.274 4.613 4.340 -0.000 0.000 0.229 180 Q C -0.275 175.733 176.000 0.012 0.000 0.827 180 Q CA -0.277 55.535 55.803 0.016 0.000 1.055 180 Q CB 0.371 29.120 28.738 0.018 0.000 1.157 180 Q HN 0.548 nan 8.270 nan 0.000 0.482 181 D N 0.947 121.353 120.400 0.010 0.000 2.493 181 D HA -0.049 4.591 4.640 -0.000 0.000 0.240 181 D C -1.381 174.920 176.300 0.002 0.000 1.142 181 D CA -1.038 52.966 54.000 0.006 0.000 0.872 181 D CB 1.364 42.165 40.800 0.002 0.000 1.173 181 D HN 0.131 nan 8.370 nan 0.000 0.467 182 P HA -0.152 nan 4.420 nan 0.000 0.219 182 P C 0.332 177.627 177.300 -0.008 0.000 1.146 182 P CA 0.880 63.980 63.100 -0.001 0.000 0.808 182 P CB 0.330 32.030 31.700 0.000 0.000 0.779 183 E N 0.736 120.929 120.200 -0.012 0.000 2.223 183 E HA 0.136 4.486 4.350 -0.000 0.000 0.282 183 E C -1.813 174.770 176.600 -0.028 0.000 1.046 183 E CA -2.733 53.654 56.400 -0.021 0.000 0.857 183 E CB 0.560 30.245 29.700 -0.025 0.000 1.055 183 E HN -0.028 nan 8.360 nan 0.000 0.409 184 P HA -0.149 nan 4.420 nan 0.000 0.216 184 P C 0.479 177.741 177.300 -0.063 0.000 1.150 184 P CA 1.212 64.281 63.100 -0.052 0.000 0.837 184 P CB 0.280 31.942 31.700 -0.064 0.000 0.786 185 E N -0.658 119.506 120.200 -0.060 0.000 2.077 185 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 185 E C 1.895 178.465 176.600 -0.050 0.000 0.989 185 E CA 1.110 57.473 56.400 -0.061 0.000 0.800 185 E CB -0.443 29.225 29.700 -0.053 0.000 0.746 185 E HN 0.045 nan 8.360 nan 0.000 0.452 186 V N 1.211 121.101 119.914 -0.040 0.000 2.261 186 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 186 V C 2.209 178.285 176.094 -0.030 0.000 1.047 186 V CA 1.824 64.105 62.300 -0.032 0.000 1.015 186 V CB -0.540 31.270 31.823 -0.022 0.000 0.642 186 V HN 0.222 nan 8.190 nan 0.000 0.446 187 R N -0.129 120.354 120.500 -0.029 0.000 2.127 187 R HA -0.189 4.150 4.340 -0.000 0.000 0.238 187 R C 2.469 178.750 176.300 -0.032 0.000 1.134 187 R CA 1.589 57.675 56.100 -0.024 0.000 0.975 187 R CB -0.433 29.855 30.300 -0.021 0.000 0.865 187 R HN 0.433 nan 8.270 nan 0.000 0.447 188 R N 1.010 121.481 120.500 -0.048 0.000 2.075 188 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 188 R C 2.353 178.630 176.300 -0.038 0.000 1.126 188 R CA 1.330 57.396 56.100 -0.056 0.000 0.963 188 R CB -0.215 30.033 30.300 -0.088 0.000 0.858 188 R HN 0.233 nan 8.270 nan 0.000 0.435 189 I N -0.506 120.041 120.570 -0.038 0.000 2.439 189 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 189 I C 1.570 177.669 176.117 -0.032 0.000 1.139 189 I CA 1.233 62.513 61.300 -0.033 0.000 1.438 189 I CB -0.104 37.873 38.000 -0.037 0.000 1.085 189 I HN -0.094 nan 8.210 nan 0.000 0.427 190 V N 1.884 121.781 119.914 -0.028 0.000 2.261 190 V HA -0.277 3.842 4.120 -0.000 0.000 0.246 190 V C 2.963 179.045 176.094 -0.020 0.000 1.047 190 V CA 2.034 64.319 62.300 -0.025 0.000 1.015 190 V CB -1.642 30.172 31.823 -0.016 0.000 0.642 190 V HN 0.621 nan 8.190 nan 0.000 0.446 191 A N 0.583 123.398 122.820 -0.009 0.000 1.986 191 A HA -0.247 4.072 4.320 -0.000 0.000 0.220 191 A C 2.456 180.059 177.584 0.032 0.000 1.171 191 A CA 2.442 54.486 52.037 0.011 0.000 0.640 191 A CB -0.682 18.323 19.000 0.009 0.000 0.811 191 A HN 0.730 nan 8.150 nan 0.000 0.451 192 S N -1.257 114.452 115.700 0.014 0.000 2.527 192 S HA 0.038 4.508 4.470 -0.000 0.000 0.222 192 S C 1.762 176.271 174.600 -0.152 0.000 0.985 192 S CA 0.623 58.838 58.200 0.026 0.000 0.921 192 S CB -0.148 63.082 63.200 0.050 0.000 0.772 192 S HN 0.653 nan 8.310 nan 0.000 0.529 193 R N 0.002 120.430 120.500 -0.120 0.000 2.195 193 R HA 0.407 4.747 4.340 -0.000 0.000 0.197 193 R C 0.311 176.526 176.300 -0.141 0.000 0.990 193 R CA -0.084 55.927 56.100 -0.148 0.000 1.048 193 R CB -0.169 30.077 30.300 -0.090 0.000 0.997 193 R HN 0.337 nan 8.270 nan 0.000 0.502 194 L N 1.863 123.034 121.223 -0.087 0.000 2.483 194 L HA 0.053 4.393 4.340 -0.000 0.000 0.276 194 L C 0.227 177.061 176.870 -0.060 0.000 1.213 194 L CA 0.134 54.943 54.840 -0.051 0.000 0.843 194 L CB 0.167 42.218 42.059 -0.014 0.000 1.107 194 L HN -0.072 nan 8.230 nan 0.000 0.487 195 R N 0.660 121.142 120.500 -0.030 0.000 2.621 195 R HA 0.625 4.965 4.340 -0.000 0.000 0.292 195 R C 0.084 176.394 176.300 0.016 0.000 0.969 195 R CA 0.375 56.469 56.100 -0.010 0.000 0.887 195 R CB 1.480 31.765 30.300 -0.025 0.000 1.180 195 R HN 0.789 nan 8.270 nan 0.000 0.450 196 G N 2.881 111.701 108.800 0.034 0.000 2.523 196 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.271 196 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.271 196 G C -0.025 174.894 174.900 0.032 0.000 1.146 196 G CA 0.334 45.452 45.100 0.031 0.000 0.961 196 G HN 0.591 nan 8.290 nan 0.000 0.549 197 D N 1.529 121.946 120.400 0.029 0.000 2.363 197 D HA 0.144 4.784 4.640 -0.000 0.000 0.226 197 D C 1.670 177.990 176.300 0.034 0.000 1.020 197 D CA 0.792 54.811 54.000 0.032 0.000 0.892 197 D CB -0.077 40.740 40.800 0.029 0.000 0.900 197 D HN 0.428 nan 8.370 nan 0.000 0.531 198 D N 0.038 120.456 120.400 0.029 0.000 2.194 198 D HA -0.068 4.572 4.640 -0.000 0.000 0.204 198 D C 1.977 178.297 176.300 0.034 0.000 0.964 198 D CA 0.139 54.156 54.000 0.028 0.000 0.846 198 D CB 0.400 41.212 40.800 0.020 0.000 0.962 198 D HN 0.124 nan 8.370 nan 0.000 0.490 199 L N 0.878 122.122 121.223 0.036 0.000 2.093 199 L HA -0.110 4.229 4.340 -0.000 0.000 0.208 199 L C 2.278 179.174 176.870 0.043 0.000 1.085 199 L CA 0.870 55.733 54.840 0.039 0.000 0.755 199 L CB -1.083 41.003 42.059 0.045 0.000 0.904 199 L HN 0.028 nan 8.230 nan 0.000 0.435 200 L N -0.163 121.093 121.223 0.056 0.000 2.103 200 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 200 L C 2.593 179.562 176.870 0.165 0.000 1.080 200 L CA 1.666 56.562 54.840 0.093 0.000 0.764 200 L CB -1.000 41.122 42.059 0.106 0.000 0.890 200 L HN 0.411 nan 8.230 nan 0.000 0.435 201 E N -0.833 119.440 120.200 0.123 0.000 2.106 201 E HA -0.204 4.145 4.350 -0.000 0.000 0.192 201 E C 2.115 178.788 176.600 0.122 0.000 0.984 201 E CA 0.699 57.179 56.400 0.132 0.000 0.806 201 E CB 0.108 29.853 29.700 0.074 0.000 0.750 201 E HN 0.264 nan 8.360 nan 0.000 0.458 202 L N 0.768 122.032 121.223 0.067 0.000 2.093 202 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 202 L C 2.362 179.232 176.870 -0.000 0.000 1.085 202 L CA 1.216 56.076 54.840 0.035 0.000 0.755 202 L CB -1.134 40.937 42.059 0.021 0.000 0.904 202 L HN 0.308 nan 8.230 nan 0.000 0.435 203 L N -1.006 120.185 121.223 -0.053 0.000 2.551 203 L HA -0.217 4.123 4.340 -0.000 0.000 0.230 203 L C 1.105 177.752 176.870 -0.371 0.000 1.163 203 L CA 0.862 55.577 54.840 -0.207 0.000 0.826 203 L CB -0.540 41.340 42.059 -0.297 0.000 0.943 203 L HN 0.425 nan 8.230 nan 0.000 0.452 204 H N -2.690 116.396 119.070 0.028 0.000 2.662 204 H HA 0.166 4.722 4.556 -0.000 0.000 0.268 204 H C 0.097 175.443 175.328 0.029 0.000 1.152 204 H CA -0.546 55.519 56.048 0.028 0.000 1.072 204 H CB 0.259 30.035 29.762 0.023 0.000 1.660 204 H HN 0.090 nan 8.280 nan 0.000 0.584 205 D N 2.291 122.744 120.400 0.087 0.000 2.414 205 D HA -0.023 4.616 4.640 -0.000 0.000 0.242 205 D C -1.294 175.046 176.300 0.067 0.000 1.129 205 D CA -1.325 52.714 54.000 0.064 0.000 0.885 205 D CB 1.543 42.361 40.800 0.030 0.000 1.198 205 D HN 0.171 nan 8.370 nan 0.000 0.437 206 P HA -0.032 nan 4.420 nan 0.000 0.239 206 P C -0.068 177.279 177.300 0.077 0.000 1.184 206 P CA 0.607 63.746 63.100 0.066 0.000 0.760 206 P CB 0.401 32.132 31.700 0.051 0.000 0.884 207 D N 0.073 120.508 120.400 0.058 0.000 2.502 207 D HA 0.028 4.668 4.640 -0.000 0.000 0.249 207 D C 1.146 177.465 176.300 0.033 0.000 1.092 207 D CA -0.791 53.235 54.000 0.043 0.000 0.839 207 D CB 1.008 41.785 40.800 -0.038 0.000 1.264 207 D HN 0.011 nan 8.370 nan 0.000 0.511 208 W N 3.791 125.089 121.300 -0.002 0.000 2.392 208 W HA -0.176 4.484 4.660 -0.000 0.000 0.279 208 W C 1.049 177.562 176.519 -0.009 0.000 1.225 208 W CA 1.560 58.900 57.345 -0.008 0.000 1.233 208 W CB -1.470 27.985 29.460 -0.008 0.000 1.122 208 W HN 0.401 nan 8.180 nan 0.000 0.561 209 T N 0.201 114.208 114.554 -0.911 0.000 2.812 209 T HA -0.198 4.152 4.350 -0.000 0.000 0.264 209 T C 2.084 176.578 174.700 -0.343 0.000 1.042 209 T CA 2.132 63.728 62.100 -0.839 0.000 1.140 209 T CB -1.022 67.326 68.868 -0.866 0.000 0.870 209 T HN 0.142 nan 8.240 nan 0.000 0.445 210 V N 0.834 120.611 119.914 -0.227 0.000 2.379 210 V HA 0.056 4.175 4.120 -0.000 0.000 0.245 210 V C 2.700 178.756 176.094 -0.063 0.000 1.044 210 V CA 1.493 63.725 62.300 -0.113 0.000 1.036 210 V CB -0.858 30.921 31.823 -0.073 0.000 0.664 210 V HN 0.391 nan 8.190 nan 0.000 0.453 211 R N -0.698 119.779 120.500 -0.039 0.000 2.091 211 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 211 R C 2.294 178.597 176.300 0.006 0.000 1.136 211 R CA 2.091 58.190 56.100 -0.001 0.000 0.959 211 R CB -0.542 29.787 30.300 0.049 0.000 0.856 211 R HN 0.576 nan 8.270 nan 0.000 0.437 212 L N 0.344 121.576 121.223 0.015 0.000 2.046 212 L HA -0.100 4.239 4.340 -0.000 0.000 0.208 212 L C 2.172 179.031 176.870 -0.018 0.000 1.077 212 L CA 2.022 56.880 54.840 0.031 0.000 0.747 212 L CB -0.597 41.504 42.059 0.070 0.000 0.896 212 L HN 0.145 nan 8.230 nan 0.000 0.432 213 A N -0.628 122.170 122.820 -0.038 0.000 1.902 213 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 213 A C 2.460 180.056 177.584 0.020 0.000 1.181 213 A CA 1.725 53.754 52.037 -0.013 0.000 0.623 213 A CB -1.154 17.839 19.000 -0.012 0.000 0.818 213 A HN 0.545 nan 8.150 nan 0.000 0.443 214 A N -0.387 122.443 122.820 0.015 0.000 1.883 214 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 214 A C 2.190 179.781 177.584 0.011 0.000 1.186 214 A CA 1.908 53.965 52.037 0.034 0.000 0.624 214 A CB -1.112 17.891 19.000 0.005 0.000 0.822 214 A HN 0.472 nan 8.150 nan 0.000 0.444 215 V N -0.024 119.876 119.914 -0.023 0.000 2.453 215 V HA -0.294 3.826 4.120 -0.000 0.000 0.252 215 V C 2.506 178.541 176.094 -0.098 0.000 1.068 215 V CA 2.434 64.708 62.300 -0.043 0.000 1.070 215 V CB -0.887 30.918 31.823 -0.028 0.000 0.664 215 V HN 0.602 nan 8.190 nan 0.000 0.461 216 E N 0.035 120.125 120.200 -0.182 0.000 2.070 216 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 216 E C 1.805 178.068 176.600 -0.561 0.000 1.004 216 E CA 1.725 57.863 56.400 -0.437 0.000 0.805 216 E CB -0.171 29.101 29.700 -0.714 0.000 0.744 216 E HN 0.828 nan 8.360 nan 0.000 0.451 217 H N -2.214 116.852 119.070 -0.006 0.000 2.662 217 H HA 0.546 5.101 4.556 -0.000 0.000 0.268 217 H C 0.317 175.644 175.328 -0.003 0.000 1.152 217 H CA 0.092 56.138 56.048 -0.004 0.000 1.072 217 H CB 0.131 29.890 29.762 -0.005 0.000 1.660 217 H HN 0.073 nan 8.280 nan 0.000 0.584 218 A N 1.902 124.758 122.820 0.061 0.000 2.262 218 A HA 0.328 4.648 4.320 -0.000 0.000 0.273 218 A C 0.727 178.330 177.584 0.031 0.000 1.202 218 A CA -0.164 51.898 52.037 0.043 0.000 0.811 218 A CB 0.215 19.224 19.000 0.015 0.000 1.159 218 A HN 0.369 nan 8.150 nan 0.000 0.505 219 S N -0.857 114.858 115.700 0.025 0.000 2.541 219 S HA 0.477 4.947 4.470 -0.000 0.000 0.283 219 S C 0.977 175.585 174.600 0.012 0.000 1.196 219 S CA -0.701 57.511 58.200 0.021 0.000 1.062 219 S CB 0.898 64.111 63.200 0.023 0.000 1.009 219 S HN 0.521 nan 8.310 nan 0.000 0.502 220 L N 0.590 121.819 121.223 0.010 0.000 2.021 220 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 220 L C 2.590 179.465 176.870 0.008 0.000 1.074 220 L CA 1.581 56.425 54.840 0.006 0.000 0.760 220 L CB -0.725 41.337 42.059 0.005 0.000 0.889 220 L HN 0.643 nan 8.230 nan 0.000 0.433 221 E N 0.169 120.376 120.200 0.012 0.000 2.118 221 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 221 E C 2.210 178.822 176.600 0.019 0.000 0.992 221 E CA 1.466 57.875 56.400 0.015 0.000 0.804 221 E CB -0.295 29.415 29.700 0.017 0.000 0.741 221 E HN 0.471 nan 8.360 nan 0.000 0.458 222 A N 0.141 122.973 122.820 0.019 0.000 1.898 222 A HA -0.126 4.193 4.320 -0.000 0.000 0.216 222 A C 1.923 179.513 177.584 0.010 0.000 1.181 222 A CA 0.900 52.950 52.037 0.023 0.000 0.620 222 A CB -0.423 18.589 19.000 0.021 0.000 0.819 222 A HN 0.178 nan 8.150 nan 0.000 0.442 223 L N 0.118 121.342 121.223 0.001 0.000 2.012 223 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 223 L C 2.581 179.452 176.870 0.001 0.000 1.073 223 L CA 1.918 56.754 54.840 -0.007 0.000 0.748 223 L CB -1.444 40.611 42.059 -0.007 0.000 0.891 223 L HN 0.416 nan 8.230 nan 0.000 0.431 224 R N -0.405 120.100 120.500 0.007 0.000 2.105 224 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 224 R C 2.022 178.333 176.300 0.018 0.000 1.135 224 R CA 1.254 57.360 56.100 0.011 0.000 0.967 224 R CB -0.385 29.922 30.300 0.011 0.000 0.861 224 R HN 0.451 nan 8.270 nan 0.000 0.442 225 E N 0.918 121.134 120.200 0.027 0.000 2.338 225 E HA -0.122 4.228 4.350 -0.000 0.000 0.197 225 E C -0.005 176.627 176.600 0.053 0.000 1.007 225 E CA 0.356 56.782 56.400 0.043 0.000 0.849 225 E CB 0.203 29.938 29.700 0.059 0.000 0.774 225 E HN 0.069 nan 8.360 nan 0.000 0.506 226 L N 2.692 123.933 121.223 0.030 0.000 2.418 226 L HA 0.051 4.391 4.340 -0.000 0.000 0.274 226 L C 0.214 177.097 176.870 0.021 0.000 1.135 226 L CA 0.792 55.642 54.840 0.016 0.000 0.870 226 L CB 0.869 42.911 42.059 -0.028 0.000 1.154 226 L HN 0.049 nan 8.230 nan 0.000 0.462 227 D N 3.598 124.020 120.400 0.036 0.000 2.540 227 D HA 0.040 4.680 4.640 -0.000 0.000 0.251 227 D C -0.105 176.209 176.300 0.024 0.000 1.159 227 D CA -0.433 53.586 54.000 0.031 0.000 0.974 227 D CB 0.506 41.332 40.800 0.043 0.000 0.996 227 D HN 0.416 nan 8.370 nan 0.000 0.512 228 E N 2.796 123.002 120.200 0.009 0.000 2.217 228 E HA 0.126 4.476 4.350 -0.000 0.000 0.279 228 E C -1.568 175.033 176.600 0.003 0.000 1.068 228 E CA -1.472 54.931 56.400 0.006 0.000 0.882 228 E CB 1.321 31.021 29.700 0.000 0.000 1.039 228 E HN 0.209 nan 8.360 nan 0.000 0.418 229 P HA 0.004 nan 4.420 nan 0.000 0.230 229 P C -0.357 176.922 177.300 -0.034 0.000 1.168 229 P CA 0.278 63.373 63.100 -0.008 0.000 0.793 229 P CB 0.355 32.058 31.700 0.004 0.000 0.851 230 D N 0.676 121.053 120.400 -0.038 0.000 2.277 230 D HA 0.138 4.777 4.640 -0.000 0.000 0.249 230 D C -1.583 174.661 176.300 -0.094 0.000 1.134 230 D CA -2.248 51.691 54.000 -0.103 0.000 0.863 230 D CB 1.530 42.261 40.800 -0.116 0.000 1.143 230 D HN -0.102 nan 8.370 nan 0.000 0.458 231 P HA -0.111 nan 4.420 nan 0.000 0.217 231 P C 0.820 178.070 177.300 -0.084 0.000 1.150 231 P CA 0.824 63.870 63.100 -0.090 0.000 0.832 231 P CB 0.255 31.898 31.700 -0.096 0.000 0.787 232 E N -0.442 119.676 120.200 -0.138 0.000 2.051 232 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 232 E C 1.929 178.531 176.600 0.004 0.000 0.991 232 E CA 1.267 57.614 56.400 -0.088 0.000 0.799 232 E CB -0.474 29.113 29.700 -0.189 0.000 0.748 232 E HN 0.033 nan 8.360 nan 0.000 0.449 233 V N 0.897 120.828 119.914 0.028 0.000 2.358 233 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 233 V C 2.382 178.491 176.094 0.024 0.000 1.047 233 V CA 1.562 63.909 62.300 0.077 0.000 1.035 233 V CB -0.493 31.400 31.823 0.116 0.000 0.658 233 V HN 0.191 nan 8.190 nan 0.000 0.452 234 R N -0.520 119.980 120.500 -0.000 0.000 2.127 234 R HA -0.127 4.212 4.340 -0.000 0.000 0.238 234 R C 2.294 178.589 176.300 -0.008 0.000 1.134 234 R CA 1.242 57.337 56.100 -0.008 0.000 0.975 234 R CB -0.222 30.068 30.300 -0.017 0.000 0.865 234 R HN 0.358 nan 8.270 nan 0.000 0.447 235 L N 0.072 121.289 121.223 -0.009 0.000 2.072 235 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 235 L C 2.240 179.108 176.870 -0.002 0.000 1.079 235 L CA 1.824 56.659 54.840 -0.008 0.000 0.752 235 L CB -1.037 41.015 42.059 -0.012 0.000 0.906 235 L HN 0.208 nan 8.230 nan 0.000 0.436 236 A N 0.242 123.065 122.820 0.006 0.000 1.902 236 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 236 A C 2.161 179.741 177.584 -0.007 0.000 1.181 236 A CA 1.716 53.755 52.037 0.003 0.000 0.623 236 A CB -0.561 18.449 19.000 0.017 0.000 0.818 236 A HN 0.455 nan 8.150 nan 0.000 0.443 237 I N -0.218 120.349 120.570 -0.005 0.000 2.252 237 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 237 I C 2.935 179.046 176.117 -0.009 0.000 1.102 237 I CA 0.997 62.291 61.300 -0.010 0.000 1.385 237 I CB -0.410 37.584 38.000 -0.009 0.000 1.064 237 I HN 0.334 nan 8.210 nan 0.000 0.414 238 A N 1.041 123.857 122.820 -0.007 0.000 1.940 238 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 238 A C 2.115 179.694 177.584 -0.008 0.000 1.176 238 A CA 1.616 53.649 52.037 -0.007 0.000 0.631 238 A CB -1.362 17.633 19.000 -0.008 0.000 0.814 238 A HN 0.478 nan 8.150 nan 0.000 0.446 239 G N -0.644 108.151 108.800 -0.009 0.000 3.356 239 G HA2 0.133 4.093 3.960 -0.000 0.000 0.239 239 G HA3 0.133 4.093 3.960 -0.000 0.000 0.239 239 G C 0.663 175.556 174.900 -0.011 0.000 1.252 239 G CA -0.136 44.958 45.100 -0.010 0.000 1.611 239 G HN 0.465 nan 8.290 nan 0.000 0.580 240 R N 0.919 121.413 120.500 -0.009 0.000 4.141 240 R HA 0.284 4.624 4.340 -0.000 0.000 0.281 240 R C 0.262 176.559 176.300 -0.006 0.000 1.608 240 R CA -0.497 55.598 56.100 -0.008 0.000 1.426 240 R CB -0.518 29.778 30.300 -0.007 0.000 1.432 240 R HN 0.250 nan 8.270 nan 0.000 0.708 241 L N 0.000 121.219 121.223 -0.006 0.000 2.949 241 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 241 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 241 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 241 L HN 0.000 nan 8.230 nan 0.000 0.502